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Modeling the Binding of Three Toxins to the Voltage-Gated Potassium Channel (Kv1.3)

Chen, Rong; Robinson, Anna; Gordon, Dan; Chung, Shin-Ho


The conduction properties of the voltage-gated potassium channel Kv1.3 and its modes of interaction with several polypeptide venoms are examined using Brownian dynamics simulations and molecular dynamics calculations. Employing an open-state homology model of Kv1.3, we first determine current-voltage and current-concentration curves and ascertain that simulated results accord with experimental measurements. We then investigate, using a molecular docking method and molecular dynamics...[Show more]

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
Source: Biophysical Journal
DOI: 10.1016/j.bpj.2011.10.029


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